(1-formylcyclopropyl)sulfonylcarbamic acid

C5H7NO5S — CID 89156737

IUPAC(1-formylcyclopropyl)sulfonylcarbamic acid
SMILESO=CC1(S(=O)(=O)NC(=O)O)CC1
InChIInChI=1S/C5H7NO5S/c7-3-5(1-2-5)12(10,11)6-4(8)9/h3,6H,1-2H2,(H,8,9)
InChIKeyGMQVPOIUNQVDQK-UHFFFAOYSA-N
MW193.18 g/mol
LogP-0.68
Rot. Bonds3

About (1-formylcyclopropyl)sulfonylcarbamic acid

(1-formylcyclopropyl)sulfonylcarbamic acid (PubChem CID 89156737) has the molecular formula C5H7NO5S and a molecular weight of 193.18 g/mol. Its IUPAC name is (1-formylcyclopropyl)sulfonylcarbamic acid.

Molecular Properties

Compound Name(1-formylcyclopropyl)sulfonylcarbamic acid
PubChem CID89156737
Molecular FormulaC5H7NO5S
Molecular Weight193.18 g/mol
Exact Mass193.00
IUPAC Name(1-formylcyclopropyl)sulfonylcarbamic acid
SMILESO=CC1(S(=O)(=O)NC(=O)O)CC1
InChIInChI=1S/C5H7NO5S/c7-3-5(1-2-5)12(10,11)6-4(8)9/h3,6H,1-2H2,(H,8,9)
InChIKeyGMQVPOIUNQVDQK-UHFFFAOYSA-N
XLogP-0.68
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-formylcyclopropyl)sulfonylcarbamic acid?
The IUPAC name of (1-formylcyclopropyl)sulfonylcarbamic acid (CID 89156737) is (1-formylcyclopropyl)sulfonylcarbamic acid.
What is the SMILES notation for (1-formylcyclopropyl)sulfonylcarbamic acid?
The canonical SMILES for (1-formylcyclopropyl)sulfonylcarbamic acid is O=CC1(S(=O)(=O)NC(=O)O)CC1.
What is the InChIKey of (1-formylcyclopropyl)sulfonylcarbamic acid?
The InChIKey is GMQVPOIUNQVDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO5S/c7-3-5(1-2-5)12(10,11)6-4(8)9/h3,6H,1-2H2,(H,8,9).
What are the key properties of (1-formylcyclopropyl)sulfonylcarbamic acid?
(1-formylcyclopropyl)sulfonylcarbamic acid has a molecular weight of 193.18 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-formylcyclopropyl)sulfonylcarbamic acid is sourced from PubChem (CID 89156737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).